Crystallography Open Database

Information card for entry 7720513

7720512 << 7720513 >> 7720514

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Coordinates	7720513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H41 B22 I N4
Calculated formula	C22 H41 B22 I N4
Title of publication	Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.
Authors of publication	Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	3
Pages of publication	1109 - 1113
a	7.034 ± 0.0003 Å
b	16.9143 ± 0.0006 Å
c	15.5499 ± 0.0005 Å
α	90°
β	99.846 ± 0.001°
γ	90°
Cell volume	1822.8 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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